4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole

C24H21NSe — CID 153406971

IUPAC4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole
SMILESc1ccc(CCCc2n[se]c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H21NSe/c1-4-11-19(12-5-1)13-10-18-22-23(20-14-6-2-7-15-20)24(26-25-22)21-16-8-3-9-17-21/h1-9,11-12,14-17H,10,13,18H2
InChIKeyFTMVAORQSJBBDD-UHFFFAOYSA-N
MW402.40 g/mol
LogP5.65
Rot. Bonds6

About 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole

4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole (PubChem CID 153406971) has the molecular formula C24H21NSe and a molecular weight of 402.40 g/mol. Its IUPAC name is 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole.

Molecular Properties

Compound Name4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole
PubChem CID153406971
Molecular FormulaC24H21NSe
Molecular Weight402.40 g/mol
Exact Mass403.08
IUPAC Name4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole
SMILESc1ccc(CCCc2n[se]c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H21NSe/c1-4-11-19(12-5-1)13-10-18-22-23(20-14-6-2-7-15-20)24(26-25-22)21-16-8-3-9-17-21/h1-9,11-12,14-17H,10,13,18H2
InChIKeyFTMVAORQSJBBDD-UHFFFAOYSA-N
XLogP5.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-1,2-benzoisoselenazole
CID 621129
1,2,5-Selenadiazole, 3,4-diphenyl-
CID 602988
3,4,5-Triphenyl-1,2-thiazole
CID 13048461
2-Benzyl-4,5-diphenyl-1,3-selenazole
CID 21577529
4,5-Diphenyl-1,2,3-selenadiazole
CID 11161930
Triphenylphosphazine
CID 86590065
3-(4-Fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole
CID 153406931
3-(4-Fluorophenyl)-5-phenyl-1,2-selenazole
CID 155679821
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-selenazole
CID 155679823
5-(4-Fluorophenyl)-3-phenyl-1,2-selenazole
CID 155679824
5-Phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
CID 155679843
3,5-Diphenyl-4-(trifluoromethyl)-1,2-selenazole
CID 175493038

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole?
The IUPAC name of 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole (CID 153406971) is 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole.
What is the SMILES notation for 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole?
The canonical SMILES for 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole is c1ccc(CCCc2n[se]c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole?
The InChIKey is FTMVAORQSJBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NSe/c1-4-11-19(12-5-1)13-10-18-22-23(20-14-6-2-7-15-20)24(26-25-22)21-16-8-3-9-17-21/h1-9,11-12,14-17H,10,13,18H2.
What are the key properties of 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole?
4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole has a molecular weight of 402.40 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-3-(3-phenylpropyl)-1,2-selenazole is sourced from PubChem (CID 153406971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).